HoU(H4Pd)2
Alexandria ALEXAlex-ID: agm007396283 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_13_spg5
HoH4Pd3 HoH3 U4H15 HoH11
2025-05-28 05:34:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007396283).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm007396283
data_agm007396283
_cell_length_a 3.80550
_cell_length_b 4.21634
_cell_length_c 8.54122
_cell_angle_alpha 90.00609
_cell_angle_beta 92.46314
_cell_angle_gamma 123.53478
_cell_volume 114.08261
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho1 Ho 0.50000 0.00000 0.50000 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
H1 H 0.81374 0.65653 0.03442 1.00000
H2 H 0.28431 0.13117 0.24717 1.00000
H3 H 0.18626 0.34347 0.96558 1.00000
H4 H 0.80970 0.65490 0.46336 1.00000
H5 H 0.19030 0.34510 0.53664 1.00000
H6 H 0.28347 0.65122 0.24712 1.00000
H7 H 0.71653 0.34878 0.75288 1.00000
H8 H 0.71569 0.86883 0.75283 1.00000
Pd1 Pd 0.76733 0.63294 0.25711 1.00000
Pd2 Pd 0.23267 0.36706 0.74289 1.00000
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